tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate

C33H36BrFN4O3 — CID 168765983

IUPACtert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate
SMILESCc1c(-c2cc3ccc(Br)cc3n2CC2CC2)nn2cc(C(=O)C3CC4CCC3[C@@H]4NC(=O)OC(C)(C)C)cc(F)c12
InChIInChI=1S/C33H36BrFN4O3/c1-17-28(27-13-19-7-9-22(34)14-26(19)38(27)15-18-5-6-18)37-39-16-21(12-25(35)30(17)39)31(40)24-11-20-8-10-23(24)29(20)36-32(41)42-33(2,3)4/h7,9,12-14,16,18,20,23-24,29H,5-6,8,10-11,15H2,1-4H3,(H,36,41)/t20?,23?,24?,29-/m1/s1
InChIKeyPMSXJGNDSIKQGY-QBOXJTHZSA-N
MW635.58 g/mol
LogP7.70
Rot. Bonds6

About tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate

tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate (PubChem CID 168765983) has the molecular formula C33H36BrFN4O3 and a molecular weight of 635.58 g/mol. Its IUPAC name is tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate
PubChem CID168765983
Molecular FormulaC33H36BrFN4O3
Molecular Weight635.58 g/mol
Exact Mass634.20
IUPAC Nametert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate
SMILESCc1c(-c2cc3ccc(Br)cc3n2CC2CC2)nn2cc(C(=O)C3CC4CCC3[C@@H]4NC(=O)OC(C)(C)C)cc(F)c12
InChIInChI=1S/C33H36BrFN4O3/c1-17-28(27-13-19-7-9-22(34)14-26(19)38(27)15-18-5-6-18)37-39-16-21(12-25(35)30(17)39)31(40)24-11-20-8-10-23(24)29(20)36-32(41)42-33(2,3)4/h7,9,12-14,16,18,20,23-24,29H,5-6,8,10-11,15H2,1-4H3,(H,36,41)/t20?,23?,24?,29-/m1/s1
InChIKeyPMSXJGNDSIKQGY-QBOXJTHZSA-N
XLogP7.70
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.58
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate?
The IUPAC name of tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate (CID 168765983) is tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate.
What is the SMILES notation for tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate?
The canonical SMILES for tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate is Cc1c(-c2cc3ccc(Br)cc3n2CC2CC2)nn2cc(C(=O)C3CC4CCC3[C@@H]4NC(=O)OC(C)(C)C)cc(F)c12.
What is the InChIKey of tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate?
The InChIKey is PMSXJGNDSIKQGY-QBOXJTHZSA-N. The full InChI is InChI=1S/C33H36BrFN4O3/c1-17-28(27-13-19-7-9-22(34)14-26(19)38(27)15-18-5-6-18)37-39-16-21(12-25(35)30(17)39)31(40)24-11-20-8-10-23(24)29(20)36-32(41)42-33(2,3)4/h7,9,12-14,16,18,20,23-24,29H,5-6,8,10-11,15H2,1-4H3,(H,36,41)/t20?,23?,24?,29-/m1/s1.
What are the key properties of tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate?
tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate has a molecular weight of 635.58 g/mol, XLogP of 7.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-7-bicyclo[2.2.1]heptanyl]carbamate is sourced from PubChem (CID 168765983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).